Chemical Properties of Chrysanthenyl hexanoate

InChI

InChI=1S/C16H26O2/c1-5-6-7-8-13(17)18-15-12-10-9-11(2)14(15)16(12,3)4/h9,12,14-15H,5-8,10H2,1-4H3

InChI Key

BYHBSLCRLQTEFD-UHFFFAOYSA-N

Formula

C16H26O2

SMILES

CCCCCC(=O)OC1C2CC=C(C)C1C2(C)C

Molecular Weight¹

250.38

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5655		Relay (1.0) Calculated Property
ΔfG°	-41.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-469.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.83	kJ/mol	Joback Calculated Property
ΔvapH°	75.48	kJ/mol	Relay (1.0) Calculated Property
IE	8.56	eV	Relay (1.0) Calculated Property
log10WS	-4.45		Relay (1.0) Calculated Property
logPoct/wat	4.101		Crippen Calculated Property
McVol	217.720	ml/mol	McGowan Calculated Property
Pc	1703.31	kPa	Joback Calculated Property
Inp	[1589.00; 1589.00]
Inp	1589.00		NIST
Inp	1589.00		NIST
Tboil	550.68	K	Relay (1.0) Calculated Property
Tc	789.61	K	Relay (1.0) Calculated Property
Tfus	294.79	K	Relay (1.0) Calculated Property
Vc	0.765	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[628.48; 732.39]	J/mol×K	[654.56; 853.02]
Cp,gas	628.48	J/mol×K	654.56	Joback Calculated Property
Cp,gas	647.68	J/mol×K	687.64	Joback Calculated Property
Cp,gas	665.98	J/mol×K	720.71	Joback Calculated Property
Cp,gas	683.50	J/mol×K	753.79	Joback Calculated Property
Cp,gas	700.33	J/mol×K	786.87	Joback Calculated Property
Cp,gas	716.59	J/mol×K	819.94	Joback Calculated Property
Cp,gas	732.39	J/mol×K	853.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to Chrysanthenyl hexanoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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